9LJ9

Crystal structure of a bifunctional 3-hexulose-6-phosphate synthase/6-phospho-3-hexuloisomerase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-04
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	66.923, 205.698, 143.374
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.590 - 2.640
R-factor	0.2232
Rwork	0.221
R-free	0.26460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.631
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.630	2.734
High resolution limit [Å]	2.640	2.640
Number of reflections	29508	2861
<I/σ(I)>	8.98
Completeness [%]	99.7
Redundancy	12.4
CC(1/2)	0.996	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.8 M Sodium formate 0.1 M Tris pH7.5 8 % w/v PEG 20,000 8 % v/v PEG 500 MME